SCHEMBL9564285

SCHEMBL9564285

O=[N+]([O-])c1cccc2ccccc12.[NH]CC12CCCN1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 3/20 0.41
CTSB P07858 2/20 0.40
AR P10275 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPRT1 P00492 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nitrobenzene SCHEMBL9564264 0.79 LMNA (0.47) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL9564299 0.78 RAB9A (0.44) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL8554676 0.75 RAB9A (0.40) ALDH1A1CTSBARKMT2AMEN1
SCHEMBL57184 0.74 ALDH1A1 (1.00) ALDH1A1TDP1CTSBTSHRHPRT1
SCHEMBL27780773 0.74 ALDH1A1 (1.00) ALDH1A1TDP1CTSBTSHRHPRT1
SCHEMBL29378762 0.74 ALDH1A1 (1.00) ALDH1A1TDP1CTSBTSHRHPRT1
SCHEMBL8553639 0.74 TDP1 (0.44) ALDH1A1TDP1CTSBARKMT2A
SCHEMBL8555244 0.73 CTSB (0.39) ALDH1A1TDP1CTSBARKMT2A
SCHEMBL8555791 0.73 MAPT (0.47) ALDH1A1TDP1KMT2AMEN1RAB9A
Ammonia Solution, Strong SCHEMBL8944844 0.72 ALDH1A1 (0.96) ALDH1A1TDP1CTSBTSHRHPRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed